3-[[4-(2-methylbutan-2-yl)cyclohexyl]sulfamoyl]propanoic acid

C14H27NO4S — CID 43701247

IUPAC3-[[4-(2-methylbutan-2-yl)cyclohexyl]sulfamoyl]propanoic acid
SMILESCCC(C)(C)C1CCC(NS(=O)(=O)CCC(=O)O)CC1
InChIInChI=1S/C14H27NO4S/c1-4-14(2,3)11-5-7-12(8-6-11)15-20(18,19)10-9-13(16)17/h11-12,15H,4-10H2,1-3H3,(H,16,17)
InChIKeyCYQHIVRMHCHIRP-UHFFFAOYSA-N
MW305.44 g/mol
LogP2.38
Rot. Bonds7

About 3-[[4-(2-methylbutan-2-yl)cyclohexyl]sulfamoyl]propanoic acid

3-[[4-(2-methylbutan-2-yl)cyclohexyl]sulfamoyl]propanoic acid (PubChem CID 43701247) has the molecular formula C14H27NO4S and a molecular weight of 305.44 g/mol. Its IUPAC name is 3-[[4-(2-methylbutan-2-yl)cyclohexyl]sulfamoyl]propanoic acid.

Molecular Properties

Compound Name3-[[4-(2-methylbutan-2-yl)cyclohexyl]sulfamoyl]propanoic acid
PubChem CID43701247
Molecular FormulaC14H27NO4S
Molecular Weight305.44 g/mol
Exact Mass305.17
IUPAC Name3-[[4-(2-methylbutan-2-yl)cyclohexyl]sulfamoyl]propanoic acid
SMILESCCC(C)(C)C1CCC(NS(=O)(=O)CCC(=O)O)CC1
InChIInChI=1S/C14H27NO4S/c1-4-14(2,3)11-5-7-12(8-6-11)15-20(18,19)10-9-13(16)17/h11-12,15H,4-10H2,1-3H3,(H,16,17)
InChIKeyCYQHIVRMHCHIRP-UHFFFAOYSA-N
XLogP2.38
TPSA83.47 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.44
LogP ≤ 52.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 3-[[4-(2-methylbutan-2-yl)cyclohexyl]sulfamoyl]propanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[4-(2-methylbutan-2-yl)cyclohexyl]ethanesulfonamide
CID 22772497
4-[(4-ethylcyclohexyl)sulfamoyl]butanoic acid
CID 54955484
3-[(3-methylcyclohexyl)sulfamoyl]propanoic acid
CID 43317819
3-chloro-N-[4-(2-methylbutan-2-yl)cyclohexyl]propanamide
CID 43696457
4-[(4-methylsulfanylcyclohexyl)sulfamoyl]butanoic acid
CID 114122691
1-[4-(2-methylbutan-2-yl)cyclohexyl]butan-1-one
CID 83046839
1-(cyclopropylamino)-4-(2-methylbutan-2-yl)cyclohexane-1-carboxylic acid
CID 43754485
methyl 4-[[4-(2-methylbutan-2-yl)cyclohexyl]amino]butanoate
CID 60782419
4-(2-methylbutan-2-yl)cyclohexane-1-carboxylic acid
CID 13150786
2-methyl-3-(methylamino)-N-[4-(2-methylbutan-2-yl)cyclohexyl]propanamide
CID 79195672
3-(cyclopropylamino)-N-[4-(2-methylbutan-2-yl)cyclohexyl]propanamide
CID 60867060
4-methyl-2-[[[4-(2-methylbutan-2-yl)cyclohexyl]amino]methyl]pentanoic acid
CID 122127731

Frequently Asked Questions

What is the IUPAC name of 3-[[4-(2-methylbutan-2-yl)cyclohexyl]sulfamoyl]propanoic acid?
The IUPAC name of 3-[[4-(2-methylbutan-2-yl)cyclohexyl]sulfamoyl]propanoic acid (CID 43701247) is 3-[[4-(2-methylbutan-2-yl)cyclohexyl]sulfamoyl]propanoic acid.
What is the SMILES notation for 3-[[4-(2-methylbutan-2-yl)cyclohexyl]sulfamoyl]propanoic acid?
The canonical SMILES for 3-[[4-(2-methylbutan-2-yl)cyclohexyl]sulfamoyl]propanoic acid is CCC(C)(C)C1CCC(NS(=O)(=O)CCC(=O)O)CC1.
What is the InChIKey of 3-[[4-(2-methylbutan-2-yl)cyclohexyl]sulfamoyl]propanoic acid?
The InChIKey is CYQHIVRMHCHIRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27NO4S/c1-4-14(2,3)11-5-7-12(8-6-11)15-20(18,19)10-9-13(16)17/h11-12,15H,4-10H2,1-3H3,(H,16,17).
What are the key properties of 3-[[4-(2-methylbutan-2-yl)cyclohexyl]sulfamoyl]propanoic acid?
3-[[4-(2-methylbutan-2-yl)cyclohexyl]sulfamoyl]propanoic acid has a molecular weight of 305.44 g/mol, XLogP of 2.38, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[4-(2-methylbutan-2-yl)cyclohexyl]sulfamoyl]propanoic acid is sourced from PubChem (CID 43701247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).